(2E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-isobutylphenyl)-1,3-thiazol-2-yl]-2-propenenitrile

SpectraBase Compound ID	940uZnWLI7T
InChI	InChI=1S/C25H23N3O3S/c1-15(2)8-17-4-6-18(7-5-17)22-13-32-25(28-22)19(11-26)12-27-21-10-24-23(30-14-31-24)9-20(21)16(3)29/h4-7,9-10,12-13,15,27H,8,14H2,1-3H3/b19-12+
InChIKey	QKOPTYQXBSBLJJ-XDHOZWIPSA-N Google Search
Mol Weight	445.54 g/mol
Molecular Formula	C25H23N3O3S
Exact Mass	445.146013 g/mol

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SpectraBase Spectrum ID	3aJbaoyBKEw
Name	(2E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-isobutylphenyl)-1,3-thiazol-2-yl]-2-propenenitrile
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C25H23N3O3S/c1-15(2)8-17-4-6-18(7-5-17)22-13-32-25(28-22)19(11-26)12-27-21-10-24-23(30-14-31-24)9-20(21)16(3)29/h4-7,9-10,12-13,15,27H,8,14H2,1-3H3/b19-12+
InChIKey	QKOPTYQXBSBLJJ-XDHOZWIPSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_4517
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	ACETONITRIL
Source File Reference	VendorID: 120540; Labnumber: ULGAP-11-5374; VK_ID: VK-004518
Synonyms	3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-isobutylphenyl)-1,3-thiazol-2-yl]-2-propenenitrile
Temperature	318 °C